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NANOSIN-ZINC03076829

 MMsINC code: MMs02202543
Type: Neutral
Formula: C7H16NO4P
SMILES:   P(O)(O)(=O)C(NC(=O)C)CC(C)C
InChI:   InChI=1/C7H16NO4P/c1-5(2)4-7(8-6(3)9)13(10,11)12/h5,7H,4H2,1-3H3,(H,8,9)(H2,10,11,12)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-18.2041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.182 g/mol  logS: -0.5411  SlogP: -0.3978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233669  Sterimol/B1: 1.97493  Sterimol/B2: 4.31485  Sterimol/B3: 5.04616
  Sterimol/B4: 6.13279  Sterimol/L: 10.3925 
 
 Surface and Volume Properties
  Accessible surface: 408.016  Positive charged surface: 248.791  Negative charged surface: 159.225  Volume: 190
  Hydrophobic surface: 209.843  Hydrophilic surface: 198.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.